Azepanium based protic ionic liquids: Synthesis, thermophysical properties and COSMO-RS study

Protic ionic liquids (ILs) with seven-membered azepanium cation were synthesized and characterized. The molecular structure of the synthesized ILs was confirmed using 1H NMR and 13C NMR spectroscopy. In one hand, sulfonic acid (�SO3H) group was tethered to the azepanium moiety combined with HSPO4...

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Main Authors: Dong, Y., Shah, S.N., Pranesh, M., Prokkola, H., Kärkkäinen, J., Leveque, J.-M., Lassi, U., Lethesh, K.C.
Format: Article
Institution: Universiti Teknologi Petronas
Record Id / ISBN-0: utp-eprints.20787 /
Published: Elsevier B.V. 2018
Online Access: https://www.scopus.com/inward/record.uri?eid=2-s2.0-85046857612&doi=10.1016%2fj.molliq.2018.05.031&partnerID=40&md5=28c70f488e05385a03641317bd7c0d69
http://eprints.utp.edu.my/20787/
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spelling utp-eprints.207872019-02-26T02:24:15Z Azepanium based protic ionic liquids: Synthesis, thermophysical properties and COSMO-RS study Dong, Y. Shah, S.N. Pranesh, M. Prokkola, H. Kärkkäinen, J. Leveque, J.-M. Lassi, U. Lethesh, K.C. Protic ionic liquids (ILs) with seven-membered azepanium cation were synthesized and characterized. The molecular structure of the synthesized ILs was confirmed using 1H NMR and 13C NMR spectroscopy. In one hand, sulfonic acid (�SO3H) group was tethered to the azepanium moiety combined with HSPO4 or H2PO4 �anion and on the other hand azepanium based alkyl sulfate ILs were synthesized by reacting azepane with corresponding dialkyl sulfates. Thermo-physical properties (density, viscosity, glass transition temperature, thermal decomposition temperature) of the synthesized ILs were measured. All the studied ILs showed good thermal stability. From the viscosity and density data of alkyl sulfate ILs, the volumetric properties such as molar volume, lattice energy and standard molar entropy were calculated. COSMO-RS was used to predict hydrogen bonding energy, interaction energy, Van der Waals energy and H-bond accepting and H-bond donating nature of these pure ILs. Activity coefficient values have also predicted for these ILs with cellulose. © 2018 Elsevier B.V. Elsevier B.V. 2018 Article NonPeerReviewed https://www.scopus.com/inward/record.uri?eid=2-s2.0-85046857612&doi=10.1016%2fj.molliq.2018.05.031&partnerID=40&md5=28c70f488e05385a03641317bd7c0d69 Dong, Y. and Shah, S.N. and Pranesh, M. and Prokkola, H. and Kärkkäinen, J. and Leveque, J.-M. and Lassi, U. and Lethesh, K.C. (2018) Azepanium based protic ionic liquids: Synthesis, thermophysical properties and COSMO-RS study. Journal of Molecular Liquids, 264 . pp. 24-31. http://eprints.utp.edu.my/20787/
institution Universiti Teknologi Petronas
collection UTP Institutional Repository
description Protic ionic liquids (ILs) with seven-membered azepanium cation were synthesized and characterized. The molecular structure of the synthesized ILs was confirmed using 1H NMR and 13C NMR spectroscopy. In one hand, sulfonic acid (�SO3H) group was tethered to the azepanium moiety combined with HSPO4 or H2PO4 �anion and on the other hand azepanium based alkyl sulfate ILs were synthesized by reacting azepane with corresponding dialkyl sulfates. Thermo-physical properties (density, viscosity, glass transition temperature, thermal decomposition temperature) of the synthesized ILs were measured. All the studied ILs showed good thermal stability. From the viscosity and density data of alkyl sulfate ILs, the volumetric properties such as molar volume, lattice energy and standard molar entropy were calculated. COSMO-RS was used to predict hydrogen bonding energy, interaction energy, Van der Waals energy and H-bond accepting and H-bond donating nature of these pure ILs. Activity coefficient values have also predicted for these ILs with cellulose. © 2018 Elsevier B.V.
format Article
author Dong, Y.
Shah, S.N.
Pranesh, M.
Prokkola, H.
Kärkkäinen, J.
Leveque, J.-M.
Lassi, U.
Lethesh, K.C.
spellingShingle Dong, Y.
Shah, S.N.
Pranesh, M.
Prokkola, H.
Kärkkäinen, J.
Leveque, J.-M.
Lassi, U.
Lethesh, K.C.
Azepanium based protic ionic liquids: Synthesis, thermophysical properties and COSMO-RS study
author_sort Dong, Y.
title Azepanium based protic ionic liquids: Synthesis, thermophysical properties and COSMO-RS study
title_short Azepanium based protic ionic liquids: Synthesis, thermophysical properties and COSMO-RS study
title_full Azepanium based protic ionic liquids: Synthesis, thermophysical properties and COSMO-RS study
title_fullStr Azepanium based protic ionic liquids: Synthesis, thermophysical properties and COSMO-RS study
title_full_unstemmed Azepanium based protic ionic liquids: Synthesis, thermophysical properties and COSMO-RS study
title_sort azepanium based protic ionic liquids: synthesis, thermophysical properties and cosmo-rs study
publisher Elsevier B.V.
publishDate 2018
url https://www.scopus.com/inward/record.uri?eid=2-s2.0-85046857612&doi=10.1016%2fj.molliq.2018.05.031&partnerID=40&md5=28c70f488e05385a03641317bd7c0d69
http://eprints.utp.edu.my/20787/
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score 11.62408

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